Entropy is a thermodynamic function used in chemistry to determine the disorder and irregularities of molecules specific system or process. It does this by calculating possible configurations for each molecule. applicable numerous issues biology, inorganic organic chemistry, other relevant fields. Metal-organic frameworks (MOFs) are family that have piqued curiosity scientists recent years. They extensively researched due their prospective applications increasing amount information about...

A topological index, which is a number, connected to graph. It often used in chemometrics, biomedicine, and bioinformatics anticipate various physicochemical properties biological activities of compounds. The purpose this article encourage original research focused on graph indices for the drugs azacitidine, decitabine, guadecitabine as well an investigation genesis symmetry actual networks. Symmetry universal phenomenon that applies nature’s conservation rules complicated systems. Although...

Based on topological descriptors, QSPR analysis is an incredibly helpful statistical method for examining many physical and chemical properties of compounds without demanding costly time-consuming laboratory tests. Firstly, we discuss provide research kidney cancer drugs using indices done partition the edges which are based degree. Secondly, examine attributes nineteen casodex, eligard, mitoxanrone, rubraca, zoladex, etc among others, linear model. The study in article not only demonstrates...

A topological index is a numerical measure that characterises the whole structure of graph. Based on vertex degrees, idea an atom-bond connectivity <math xmlns="http://www.w3.org/1998/Math/MathML" id="M1"> <mfenced open="(" close=")" separators="|"> <mrow> <mi>A</mi> <mi>B</mi> <mi>C</mi> </mrow> </mfenced> </math> was introduced in chemical graph theory. Later, different versions ABC were created, and some these indices recently designed. In this paper, we present edge version id="M2">...

Topological indices are invariant numerical quantities of a graph that give facts about the structure graphs and found to be very helpful in predicting physical properties aluminophosphates. The characteristics aluminophosphates similar zeolites. Two examples current applications natural gas dehydration humidity sensors. Researchers chemistry materials science synthesizing new frameworks. There many layers holes these substances. technique used predict behaviors among physicochemical...

A topological index of graph G is a numerical parameter related to which characterizes its molecular topology and usually invariant. In the field quantitative structure-activity (QSAR)/quantitative structure-property (QSPR) research, theoretical properties chemical compounds their indices such as Randić connectivity index, atom-bond (ABC) geometric-arithmetic (GA) are used predict bioactivity different compounds. dendrimer an artificially manufactured or synthesized molecule built up from...

Cheminformatics is a modern field of chemistry information science and mathematics that very much helpful in keeping the data getting about chemicals. A new two-dimensional carbon known as diphenylene was identified synthesized. It considered one materials have many applications most fields such catalysis. The number spanning trees graph G, also complexity denoted by τ(G), an important, well-studied quantity theory, appears applications. In this paper, we introduce chemical compound chain...

The study of viral infections, particularly those caused by monkeypox (Mpox), is crucial due to its significant public health impact and awareness. Graph theory, which instrumental in understanding the topology networks various disciplines, applied studying antiviral drug structures explore these drugs' structural physicochemical properties using invariants such as metric dimension edge dimension. These offer insights into their mechanisms action potential for developing more effective...

This manuscript introduces an existing enhanced approach to Shannon's method for computing degree-based entropies, integrating both additive and multiplicative topological indices. It also assesses the physicochemical correlation capacity of melamine cyanuric acid molecular structure, addressing implications biological realms. Graph theoritical computational techniques were applied investigate interaction between acid, revealing diverse binding configurations emphasizing importance...

Chemical graph theory is a branch of mathematical chemistry which has an important outcome on the development chemical sciences. A produced from some molecular structure by applying graphical operations. The demonstration compounds and networks with M-polynomials new idea M-polynomial different structures supports us to calculate many topological indices.A index numeric quantity that describes whole compound understand its physical features, reactivates boiling activities. In this paper, we...

Topological indices are numerical parameters associated with underlying topology of a molecular structure. They correlated several physio-chemical properties chemical compounds. Recently, Euclidean metric based topological index has been introduced named as Sombor index. Therefore, in this article, we will discuss combinatorial aspects and compute index, average the reduced line graph silicate carbides Si2C3-I[p, q].

In this article, we recover many degree-based topological invariants using their formulas given in table [1] of Bismuth Tri-iodide by its M-polynomial. The M-polynomial is a new phenomenon which can easily compute molecular graph. This very well-known fact that play key role deciding chemical compound properties. Graphical analysis the findings also displayed.

In predicting of their bioactivity and physicochemical properties a chemical graph extremely important correlated with mathematical invariants in the topological indices. These indices are well-known chemistry, drugs delivery, biology, gene therapy, nanotechnology other areas applied sciences. this paper, we study two families Polyphenylene dendrimers, namely D1[n] D2[n]. We also compute indices, Zagreb coindices based on concept line graphs. Furthermore, analyze results these for graphs

The edge version atom-bond connectivity ( ABC e ) indices of graph G is defined as = &lt;inline-formula&gt; &lt;mml:math display="block"&gt; &lt;mml:msub&gt; &lt;mml:mo&gt;∑&lt;/mml:mo&gt; &lt;mml:mrow&gt; &lt;mml:mi&gt;e&lt;/mml:mi&gt;&lt;mml:mi&gt;f&lt;/mml:mi&gt;&lt;mml:mo&gt;∈&lt;/mml:mo&gt;&lt;mml:mi&gt;E&lt;/mml:mi&gt;&lt;mml:mo stretchy="false"&gt;(&lt;/mml:mo&gt;&lt;mml:mi&gt;L&lt;/mml:mi&gt;&lt;mml:mo stretchy="false"&gt;(&lt;/mml:mo&gt;&lt;mml:mi&gt;G&lt;/mml:mi&gt;&lt;mml:mo...

A graph invariant is one of the tools topological indices used in chemical theory. Recently, most chemist study Zagreb and coindices related to connectivity atom molecular graph. Represented as graph, G. In this paper, we two families Polyphenylene dendrimers, namely D1[n] D2[n]. We also compute their indices, based on concept line graphs subdivision graphs. Furthermore, give closed analytical results these for

The use of graph theory in the fields chemistry, pharmacy, communication, maps, and aeronautics is significant. In order to study properties chemical compounds, molecules those compounds are modeled as graphs. Boiling point, enthalpy, π -electron energy, molecular weight a few examples physical that related geometric structure compound. Recently, modified symmetric division deg (mSDD(G), short) index {defined} total all adjacent vertices pairs μυ term 12(dμdν+dνdμ)−−−−−−−−−−−−√. purpose this...

There are certain types of topological indices such as degree-based indices, distance-based and counting-related indices. Among the so-called atom-bond connectivity (ABC), geometric-arithmetic (GA) vital importance. These correlate physico-chemical properties chemical compounds boiling point, stability, strain energy others. In this paper, augmented Zagreb, first reformulated Zagreb sum for networks like silicate, chain hexagonal, oxide honeycomb computed.

The edge version of atom-bond connectivity ( ABC e ) and geometric arithmetic GA indices G are defined as &lt;inline-formula&gt; &lt;mml:math display="block"&gt; &lt;mml:msub&gt; &lt;mml:mo&gt;∑&lt;/mml:mo&gt; &lt;mml:mrow&gt; &lt;mml:mi&gt;e&lt;/mml:mi&gt;&lt;mml:mi&gt;f&lt;/mml:mi&gt;&lt;mml:mo&gt;∈&lt;/mml:mo&gt;&lt;mml:mi&gt;E&lt;/mml:mi&gt;&lt;mml:mo stretchy="false"&gt;(&lt;/mml:mo&gt;&lt;mml:mi&gt;L&lt;/mml:mi&gt;&lt;mml:mo...

For connected graph G, the neighbourhood polynomial is defined as N(G, x) = ∑UϵN(G )x|U| ([4]) where (G) complex of a graph, whose vertices are and faces subsets that have common neighbor. Recently, Husin Hasni (2018) [8] compute for some families dendrimers. In this paper, we examine interested standard networks like silicate, hexagonal oxide networks.

In this paper, we give theoretical results for some topological indices such as Zagreb , co-indices hyper-Zagreb index HM(G), atom-bond connectivity ABC(G), sum (G) and geometric-arithmetic GA(G), by considering G line graph of subdivision convex polytopes denotes its complement.